strontium 2-(2-carboxyoxy-2-oxoethyl)-2-hydroxybutanedioate

C7H6O9Sr — CID 174672555

IUPACstrontium 2-(2-carboxyoxy-2-oxoethyl)-2-hydroxybutanedioate
SMILESO=C([O-])CC(O)(CC(=O)OC(=O)O)C(=O)[O-].[Sr+2]
InChIInChI=1S/C7H8O9.Sr/c8-3(9)1-7(15,5(11)12)2-4(10)16-6(13)14;/h15H,1-2H2,(H,8,9)(H,11,12)(H,13,14);/q;+2/p-2
InChIKeyIAMWZPQUMGQLCC-UHFFFAOYSA-L
MW321.74 g/mol
LogP-4.16
Rot. Bonds5

About strontium 2-(2-carboxyoxy-2-oxoethyl)-2-hydroxybutanedioate

strontium 2-(2-carboxyoxy-2-oxoethyl)-2-hydroxybutanedioate (PubChem CID 174672555) has the molecular formula C7H6O9Sr and a molecular weight of 321.74 g/mol. Its IUPAC name is strontium 2-(2-carboxyoxy-2-oxoethyl)-2-hydroxybutanedioate.

Molecular Properties

Compound Namestrontium 2-(2-carboxyoxy-2-oxoethyl)-2-hydroxybutanedioate
PubChem CID174672555
Molecular FormulaC7H6O9Sr
Molecular Weight321.74 g/mol
Exact Mass321.91
IUPAC Namestrontium 2-(2-carboxyoxy-2-oxoethyl)-2-hydroxybutanedioate
SMILESO=C([O-])CC(O)(CC(=O)OC(=O)O)C(=O)[O-].[Sr+2]
InChIInChI=1S/C7H8O9.Sr/c8-3(9)1-7(15,5(11)12)2-4(10)16-6(13)14;/h15H,1-2H2,(H,8,9)(H,11,12)(H,13,14);/q;+2/p-2
InChIKeyIAMWZPQUMGQLCC-UHFFFAOYSA-L
XLogP-4.16
TPSA164.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.74
LogP ≤ 5-4.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-(2-acetyloxy-2-oxoethyl)-2-hydroxybutanedioate
CID 57373416
potassium;sodium;2-(2-acetyloxy-2-oxoethyl)-2-hydroxybutanedioate
CID 88764865
trisodium;2-[2-[3-carboxylato-5-(3,4-dicarboxy-3-hydroxybutanoyl)oxy-3-hydroxy-5-oxopentanoyl]oxy-2-oxoethyl]-2-hydroxybutanedioate;dihydrate
CID 173236305
dicalcium;hydrogen carbonate;2-hydroxypropane-1,2,3-tricarboxylate
CID 174838282
potassium;sodium;2-(2-acetyloxy-2-oxoethyl)-2-hydroxybutanedioate;dihydrate
CID 173181053
tris(barium(2+));bis(2-hydroxypropane-1,2,3-tricarboxylate)
CID 90472924
2-hydroxypropane-1,2,3-tricarboxylate;pentahydrate
CID 22361291
dysprosium(3+);2-hydroxypropane-1,2,3-tricarboxylate
CID 25679
bis(copper(1+));2-hydroxypropane-1,2,3-tricarboxylate
CID 21120021
tris(2-(carboxymethyl)-2-hydroxybutanedioate);bis(iron(3+))
CID 173170506
tricalcium;bis(2-hydroxypropane-1,2,3-tricarboxylate);hydrate
CID 23154181
dipotassium;sodium;2-hydroxypropane-1,2,3-tricarboxylate
CID 15251596

Frequently Asked Questions

What is the IUPAC name of strontium 2-(2-carboxyoxy-2-oxoethyl)-2-hydroxybutanedioate?
The IUPAC name of strontium 2-(2-carboxyoxy-2-oxoethyl)-2-hydroxybutanedioate (CID 174672555) is strontium 2-(2-carboxyoxy-2-oxoethyl)-2-hydroxybutanedioate.
What is the SMILES notation for strontium 2-(2-carboxyoxy-2-oxoethyl)-2-hydroxybutanedioate?
The canonical SMILES for strontium 2-(2-carboxyoxy-2-oxoethyl)-2-hydroxybutanedioate is O=C([O-])CC(O)(CC(=O)OC(=O)O)C(=O)[O-].[Sr+2].
What is the InChIKey of strontium 2-(2-carboxyoxy-2-oxoethyl)-2-hydroxybutanedioate?
The InChIKey is IAMWZPQUMGQLCC-UHFFFAOYSA-L. The full InChI is InChI=1S/C7H8O9.Sr/c8-3(9)1-7(15,5(11)12)2-4(10)16-6(13)14;/h15H,1-2H2,(H,8,9)(H,11,12)(H,13,14);/q;+2/p-2.
What are the key properties of strontium 2-(2-carboxyoxy-2-oxoethyl)-2-hydroxybutanedioate?
strontium 2-(2-carboxyoxy-2-oxoethyl)-2-hydroxybutanedioate has a molecular weight of 321.74 g/mol, XLogP of -4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for strontium 2-(2-carboxyoxy-2-oxoethyl)-2-hydroxybutanedioate is sourced from PubChem (CID 174672555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).